2-[3-[dioxidanyl(hexadecoxy)phosphoryl]oxypropylsulfanyl]butanoic acid

Systemtic Name: 2-[3-[dioxidanyl(hexadecoxy)phosphoryl]oxypropylsulfanyl]butanoic acid Openeye Name: 2-[3-[hexadecoxy(hydroperoxy)phosphoryl]oxypropylsulfanyl]butanoic acid CAS Name: 2-[3-[hexadecoxy(hydroperoxy)phosphoryl]oxypropylthio]butanoic acid IUPAC Name: 2-[3-[hexadecoxy(hydroperoxy)phosphoryl]oxypropylsulfanyl]butanoic acid Traditional Name: 2-[3-[cetyloxy(hydroperoxy)phosphoryl]oxypropylthio]butyric acid Formula: C23H47O7PS MolecularWeight: 498.653841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)(OCCCSC(CC)C(=O)O)OO

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)(OCCCSC(CC)C(=O)O)OO

InChI

InChI=1S/C23H47O7PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-31(27,30-26)29-20-18-21-32-22(4-2)23(24)25/h22,26H,3-21H2,1-2H3,(H,24,25)